CHEBI:87280 - 2-methylbutyl 2-acetyloxyacetate

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ChEBI Name 2-methylbutyl 2-acetyloxyacetate
ChEBI ID CHEBI:87280
Definition An acetate ester obtained by the formal condensation of the carboxy group of (acetyloxy)acetic acid with 2-methylbutanol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H16O4
Net Charge 0
Average Mass 188.22090
Monoisotopic Mass 188.10486
InChI InChI=1S/C9H16O4/c1-4-7(2)5-13-9(11)6-12-8(3)10/h7H,4-6H2,1-3H3
InChIKey OBQRYHNHTBHZOI-UHFFFAOYSA-N
SMILES CCC(C)COC(=O)COC(C)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 2-methylbutyl 2-acetyloxyacetate (CHEBI:87280) has role metabolite (CHEBI:25212)
2-methylbutyl 2-acetyloxyacetate (CHEBI:87280) is a acetate ester (CHEBI:47622)
IUPAC Name
2-methylbutyl (acetyloxy)acetate
Last Modified
06 September 2021